(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid

C11H11F2NO5 — CID 107833775

IUPAC(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(COc1ccc(F)cc1F)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H11F2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-4-8(15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m0/s1
InChIKeyFJFKCSNVRUWVOZ-QMMMGPOBSA-N
MW275.21 g/mol
LogP-0.09
Rot. Bonds6

About (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid

(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 107833775) has the molecular formula C11H11F2NO5 and a molecular weight of 275.21 g/mol. Its IUPAC name is (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
PubChem CID107833775
Molecular FormulaC11H11F2NO5
Molecular Weight275.21 g/mol
Exact Mass275.06
IUPAC Name(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(COc1ccc(F)cc1F)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H11F2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-4-8(15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m0/s1
InChIKeyFJFKCSNVRUWVOZ-QMMMGPOBSA-N
XLogP-0.09
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
(2S)-2-hydroxy-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 107833784
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 66168097
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid (CID 107833775) is (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid is O=C(COc1ccc(F)cc1F)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is FJFKCSNVRUWVOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11F2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-4-8(15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 275.21 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).